69809-22-9
Product Name:
(5S)-5,6,7,8-Tetrahydro-5α,6β,7β,8α-tetrahydroxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one
Formula:
C17H18O6
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 318.32 g/mol |
|---|---|
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 318.11033829 g/mol |
| Monoisotopic Mass | 318.11033829 g/mol |
| Topological Polar Surface Area | 107 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 531 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Agarotetrol is a pyranone.